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

16
Patents

221.07217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 149.0
[M+Na]+ 244.06139 151.8
[M+NH4]+ 239.10599 150.5
[M+K]+ 260.03533 150.2
[M-H]- 220.06489 143.6
[M+Na-2H]- 242.04684 147.2
[M]+ 221.07162 146.7
[M]- 221.07272 146.7
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