CID 19608645

146000-38-6

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N(C)C1(CCCC1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13(4)12(9(14)15)7-5-6-8-12/h5-8H2,1-4H3,(H,14,15)
InChIKey
YSEDBEYQSAQOPD-UHFFFAOYSA-N
Compound name
1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.3
[M+Na]+ 266.13628 160.6
[M-H]- 242.13978 159.4
[M+NH4]+ 261.18088 177.0
[M+K]+ 282.11022 161.6
[M+H-H2O]+ 226.14432 152.2
[M+HCOO]- 288.14526 175.5
[M+CH3COO]- 302.16091 192.9
[M+Na-2H]- 264.12173 158.2
[M]+ 243.14651 156.5
[M]- 243.14761 156.5
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