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]+ 244.154336 154.7
[M+Na]+ 266.136278 160.5
[M-H]- 242.139784 157.5
[M+NH4]+ 261.180883 166.6
[M+K]+ 282.110218 158.5
[M+H-H2O]+ 226.144320 149.1
[M+HCOO]- 288.145261 173.5
[M+CH3COO]- 302.160911 195.8
[M+Na-2H]- 264.121726 156.6
[M]+ 243.14651142 158.8
[M]- 243.14760858 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.