CID 13103190

88384-33-2

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)N
InChI
InChI=1S/C12H17ClN2O2/c1-15(2)8-7-11(17-12(14)16)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3,(H2,14,16)
InChIKey
VIERYSABUCFIBM-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 158.6
[M+Na]+ 279.08709 164.7
[M-H]- 255.09059 162.9
[M+NH4]+ 274.13169 176.3
[M+K]+ 295.06103 162.4
[M+H-H2O]+ 239.09513 152.5
[M+HCOO]- 301.09607 178.3
[M+CH3COO]- 315.11172 202.1
[M+Na-2H]- 277.07254 160.3
[M]+ 256.09732 161.8
[M]- 256.09842 161.8
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.