CID 10585395

1-((tert-butoxycarbonyl)amino)cyclopent-3-enecarboxylic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)NC1(CC=CC1)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-5H,6-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
XAUHKCBBMAAOMD-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

227.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.3
[M+Na]+ 250.10497 156.8
[M-H]- 226.10847 153.4
[M+NH4]+ 245.14957 172.0
[M+K]+ 266.07891 156.4
[M+H-H2O]+ 210.11301 147.2
[M+HCOO]- 272.11395 171.7
[M+CH3COO]- 286.12960 186.0
[M+Na-2H]- 248.09042 155.2
[M]+ 227.11520 151.3
[M]- 227.11630 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe