CID 165735752

Tert-butyl n-[4-(chlorosulfonyl)butan-2-yl]carbamate

Structural Information

Molecular Formula
C9H18ClNO4S
SMILES
CC(CCS(=O)(=O)Cl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18ClNO4S/c1-7(5-6-16(10,13)14)11-8(12)15-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKey
GVUULWWANZGHPP-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chlorosulfonylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0645 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07178 157.6
[M+Na]+ 294.05372 164.0
[M-H]- 270.05722 158.2
[M+NH4]+ 289.09832 175.1
[M+K]+ 310.02766 161.7
[M+H-H2O]+ 254.06176 153.8
[M+HCOO]- 316.06270 168.0
[M+CH3COO]- 330.07835 194.3
[M+Na-2H]- 292.03917 159.7
[M]+ 271.06395 164.1
[M]- 271.06505 164.1
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.