CID 129966650

1380171-14-1

Structural Information

Molecular Formula
C11H19ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)Cl
InChI
InChI=1S/C11H19ClN2O3/c1-11(2,3)17-10(16)14-6-4-5-13(7-8-14)9(12)15/h4-8H2,1-3H3
InChIKey
LBPVVHSHGVBSDZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbonochloridoyl-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.10843 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11571 150.7
[M+Na]+ 285.09765 155.7
[M-H]- 261.10115 152.1
[M+NH4]+ 280.14225 164.9
[M+K]+ 301.07159 158.7
[M+H-H2O]+ 245.10569 143.5
[M+HCOO]- 307.10663 160.9
[M+CH3COO]- 321.12228 193.6
[M+Na-2H]- 283.08310 152.9
[M]+ 262.10788 148.2
[M]- 262.10898 148.2
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

No patent data available for this compound.