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

457
Patents

215.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 150.0
[M+Na]+ 238.10497 154.4
[M-H]- 214.10847 150.6
[M+NH4]+ 233.14957 160.2
[M+K]+ 254.07891 157.5
[M+H-H2O]+ 198.11301 139.2
[M+HCOO]- 260.11395 165.7
[M+CH3COO]- 274.12960 187.9
[M+Na-2H]- 236.09042 151.7
[M]+ 215.11520 159.7
[M]- 215.11630 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