CID 15830737

201282-04-4

Structural Information

Molecular Formula
C13H25ClN2O3
SMILES
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCl
InChI
InChI=1S/C13H25ClN2O3/c1-13(2,3)19-12(18)16-9-7-5-4-6-8-15-11(17)10-14/h4-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
DHQOZFQGPYEETI-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[(2-chloroacetyl)amino]hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

292.15536 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16264 172.1
[M+Na]+ 315.14458 176.2
[M-H]- 291.14808 171.6
[M+NH4]+ 310.18918 188.2
[M+K]+ 331.11852 173.6
[M+H-H2O]+ 275.15262 167.0
[M+HCOO]- 337.15356 188.9
[M+CH3COO]- 351.16921 205.3
[M+Na-2H]- 313.13003 173.9
[M]+ 292.15481 177.2
[M]- 292.15591 177.2
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

patents stripe