CID 106490239

1691740-97-2

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC(CC1CC1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9(10(14)15)6-8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
MVNTYKSTPOWNJZ-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 154.7
[M+Na]+ 266.13628 160.5
[M-H]- 242.13978 157.5
[M+NH4]+ 261.18088 166.6
[M+K]+ 282.11022 158.5
[M+H-H2O]+ 226.14432 149.1
[M+HCOO]- 288.14526 173.5
[M+CH3COO]- 302.16091 195.8
[M+Na-2H]- 264.12173 156.6
[M]+ 243.14651 158.8
[M]- 243.14761 158.8
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.