CID 11063514

140923-27-9

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)OC(C)C
InChI
InChI=1S/C9H17NO4/c1-5(2)7(8(11)12)10-9(13)14-6(3)4/h5-7H,1-4H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKey
BOEQBJGCRDSQAI-ZETCQYMHSA-N
Compound name
(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

203.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 147.1
[M+Na]+ 226.10497 152.7
[M+NH4]+ 221.14957 151.6
[M+K]+ 242.07891 151.8
[M-H]- 202.10847 143.6
[M+Na-2H]- 224.09042 146.6
[M]+ 203.11520 146.2
[M]- 203.11630 146.2
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