CID 2760952

3-(methylamino)propanoic acid, n-boc protected

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

203.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 145.5
[M+Na]+ 226.104968 151.1
[M-H]- 202.108474 145.8
[M+NH4]+ 221.149573 164.4
[M+K]+ 242.078908 152.7
[M+H-H2O]+ 186.113010 140.6
[M+HCOO]- 248.113951 166.3
[M+CH3COO]- 262.129601 188.1
[M+Na-2H]- 224.090416 148.5
[M]+ 203.11520142 148.8
[M]- 203.11629858 148.8
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

patents stripe