CID 11095989

2-(1-(tert-butoxycarbonyl)azetidin-3-yl)acetic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
VEFHUWJIRFTGRB-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

215.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 150.0
[M+Na]+ 238.104968 154.4
[M-H]- 214.108474 150.6
[M+NH4]+ 233.149573 160.2
[M+K]+ 254.078908 157.5
[M+H-H2O]+ 198.113010 139.2
[M+HCOO]- 260.113951 165.7
[M+CH3COO]- 274.129601 187.9
[M+Na-2H]- 236.090416 151.7
[M]+ 215.11520142 159.7
[M]- 215.11629858 159.7
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