CID 2755934

34306-42-8

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey
PNFVIPIQXAIUAY-LURJTMIESA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2261
Patents

203.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.4
[M+Na]+ 226.10497 152.4
[M+NH4]+ 221.14957 150.9
[M+K]+ 242.07891 151.1
[M-H]- 202.10847 142.6
[M+Na-2H]- 224.09042 146.5
[M]+ 203.11520 145.6
[M]- 203.11630 145.6
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