CID 294894

4-{[(tert-butoxy)carbonyl]amino}butanoic acid

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)NCCCC(=O)O
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
HIDJWBGOQFTDLU-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3269
Patents

203.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.6
[M+Na]+ 226.10497 151.9
[M-H]- 202.10847 145.3
[M+NH4]+ 221.14957 164.8
[M+K]+ 242.07891 152.1
[M+H-H2O]+ 186.11301 141.7
[M+HCOO]- 248.11395 166.8
[M+CH3COO]- 262.12960 184.7
[M+Na-2H]- 224.09042 150.1
[M]+ 203.11520 148.6
[M]- 203.11630 148.6
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