CID 11063514

(2s)-3-methyl-2-{[(propan-2-yloxy)carbonyl]amino}butanoic acid

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 147.5
[M+Na]+ 226.10497 151.7
[M-H]- 202.10847 146.2
[M+NH4]+ 221.14957 165.3
[M+K]+ 242.07891 153.0
[M+H-H2O]+ 186.11301 142.2
[M+HCOO]- 248.11395 166.2
[M+CH3COO]- 262.12960 187.9
[M+Na-2H]- 224.09042 146.4
[M]+ 203.11520 148.1
[M]- 203.11630 148.1
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