CID 51741

Glycine, 2-(m-(bis(2-chloroethyl)amino)phenyl)-

Structural Information

Molecular Formula
C12H16Cl2N2O2
SMILES
C1=CC(=CC(=C1)N(CCCl)CCCl)C(C(=O)O)N
InChI
InChI=1S/C12H16Cl2N2O2/c13-4-6-16(7-5-14)10-3-1-2-9(8-10)11(15)12(17)18/h1-3,8,11H,4-7,15H2,(H,17,18)
InChIKey
PJBRRWKNPUFXPB-UHFFFAOYSA-N
Compound name
2-amino-2-[3-[bis(2-chloroethyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05887 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.066146 163.8
[M+Na]+ 313.048088 169.7
[M-H]- 289.051594 165.9
[M+NH4]+ 308.092693 179.6
[M+K]+ 329.022028 165.1
[M+H-H2O]+ 273.056130 158.8
[M+HCOO]- 335.057071 177.0
[M+CH3COO]- 349.072721 204.7
[M+Na-2H]- 311.033536 164.3
[M]+ 290.05832142 166.3
[M]- 290.05941858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.