CID 122163186

Tert-butyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CS(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-5-4-8(6-12)7-17(11,14)15/h8H,4-7H2,1-3H3
InChIKey
UHFFWPGLYAMRBI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

283.0645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07178 163.1
[M+Na]+ 306.05372 170.7
[M-H]- 282.05722 165.7
[M+NH4]+ 301.09832 181.1
[M+K]+ 322.02766 168.2
[M+H-H2O]+ 266.06176 159.0
[M+HCOO]- 328.06270 171.6
[M+CH3COO]- 342.07835 191.6
[M+Na-2H]- 304.03917 163.5
[M]+ 283.06395 168.0
[M]- 283.06505 168.0
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