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

32
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 146.7
[M+Na]+ 244.06139 150.6
[M-H]- 220.06489 147.1
[M+NH4]+ 239.10599 156.7
[M+K]+ 260.03533 153.3
[M+H-H2O]+ 204.06943 135.1
[M+HCOO]- 266.07037 157.4
[M+CH3COO]- 280.08602 185.9
[M+Na-2H]- 242.04684 146.3
[M]+ 221.07162 157.3
[M]- 221.07272 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