CID 11687095

Methyl 3-{[(tert-butoxy)carbonyl]amino}propanoate

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)NCCC(=O)OC
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12)
InChIKey
GUYURTCMYDHGKH-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

203.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 146.0
[M+Na]+ 226.104968 151.9
[M-H]- 202.108474 146.3
[M+NH4]+ 221.149573 165.1
[M+K]+ 242.078908 153.0
[M+H-H2O]+ 186.113010 141.1
[M+HCOO]- 248.113951 167.8
[M+CH3COO]- 262.129601 186.5
[M+Na-2H]- 224.090416 150.2
[M]+ 203.11520142 150.0
[M]- 203.11629858 150.0
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