CID 121553498

[1-(dimethylamino)cyclopropyl]methanesulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C6H12ClNO2S
SMILES
CN(C)C1(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO2S/c1-8(2)6(3-4-6)5-11(7,9)10/h3-5H2,1-2H3
InChIKey
AYRGULJGYUZGFQ-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02773 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.035006 134.4
[M+Na]+ 220.016948 144.0
[M-H]- 196.020454 140.5
[M+NH4]+ 215.061553 152.3
[M+K]+ 235.990888 142.0
[M+H-H2O]+ 180.024990 130.7
[M+HCOO]- 242.025931 149.1
[M+CH3COO]- 256.041581 186.8
[M+Na-2H]- 218.002396 140.0
[M]+ 197.02718142 142.1
[M]- 197.02827858 142.1
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.