CID 2761507

(r)-3-((tert-butoxycarbonyl)amino)butanoic acid

Structural Information

Molecular Formula
C9H17NO4
SMILES
C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKey
PYNDHEONPQYIAN-ZCFIWIBFSA-N
Compound name
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

768
Patents

203.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.3
[M+Na]+ 226.10497 151.4
[M-H]- 202.10847 145.2
[M+NH4]+ 221.14957 164.5
[M+K]+ 242.07891 152.1
[M+H-H2O]+ 186.11301 141.6
[M+HCOO]- 248.11395 165.5
[M+CH3COO]- 262.12960 185.6
[M+Na-2H]- 224.09042 148.7
[M]+ 203.11520 147.7
[M]- 203.11630 147.7
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