CID 7015295

Boc-ala-nh2

Structural Information

Molecular Formula
C8H16N2O3
SMILES
C[C@@H](C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1
InChIKey
GZKKSKKIABUUCX-YFKPBYRVSA-N
Compound name
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

188.11609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 143.1
[M+Na]+ 211.10531 148.3
[M-H]- 187.10881 143.1
[M+NH4]+ 206.14991 162.0
[M+K]+ 227.07925 149.3
[M+H-H2O]+ 171.11335 138.0
[M+HCOO]- 233.11429 164.3
[M+CH3COO]- 247.12994 187.5
[M+Na-2H]- 209.09076 145.5
[M]+ 188.11554 142.7
[M]- 188.11664 142.7
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