CID 42627

58050-45-6

Structural Information

Molecular Formula
C10H20Cl2N2O2
SMILES
CC(C)COC(=O)NCN(CCCl)CCCl
InChI
InChI=1S/C10H20Cl2N2O2/c1-9(2)7-16-10(15)13-8-14(5-3-11)6-4-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKey
KEHUEHBDDVSZAO-UHFFFAOYSA-N
Compound name
2-methylpropyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09018 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09746 162.8
[M+Na]+ 293.07940 168.0
[M-H]- 269.08290 163.3
[M+NH4]+ 288.12400 180.6
[M+K]+ 309.05334 165.3
[M+H-H2O]+ 253.08744 158.4
[M+HCOO]- 315.08838 177.2
[M+CH3COO]- 329.10403 204.0
[M+Na-2H]- 291.06485 163.7
[M]+ 270.08963 168.8
[M]- 270.09073 168.8
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.