CID 89881837

Sodium 1-(tert-butoxycarbonyl)azetidine-3-sulfinate

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)S(=O)O
InChI
InChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)9-4-6(5-9)14(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKey
OITPUKPNDABIAT-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

221.07217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 146.7
[M+Na]+ 244.061388 150.6
[M-H]- 220.064894 147.1
[M+NH4]+ 239.105993 156.7
[M+K]+ 260.035328 153.3
[M+H-H2O]+ 204.069430 135.1
[M+HCOO]- 266.070371 157.4
[M+CH3COO]- 280.086021 185.9
[M+Na-2H]- 242.046836 146.3
[M]+ 221.07162142 157.3
[M]- 221.07271858 157.3
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