CID 125511844

2089257-86-1

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N(CCC(=O)O)CC1CC1
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13(7-6-10(14)15)8-9-4-5-9/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
SPXZQBLVCSTGMD-UHFFFAOYSA-N
Compound name
3-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.8
[M+Na]+ 266.13628 162.0
[M-H]- 242.13978 159.9
[M+NH4]+ 261.18088 168.3
[M+K]+ 282.11022 160.8
[M+H-H2O]+ 226.14432 149.9
[M+HCOO]- 288.14526 176.0
[M+CH3COO]- 302.16091 198.2
[M+Na-2H]- 264.12173 158.1
[M]+ 243.14651 161.6
[M]- 243.14761 161.6
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

No patent data available for this compound.