CID 10654237

L-2-amino-4-hexynoate

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC#CC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
VDWGCMRALYSYJV-YFKPBYRVSA-N
Compound name
(2S)-2-aminohex-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

127.06333 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 128.8
[M+Na]+ 150.05255 137.0
[M-H]- 126.05605 126.9
[M+NH4]+ 145.09715 147.3
[M+K]+ 166.02649 135.8
[M+H-H2O]+ 110.06059 118.3
[M+HCOO]- 172.06153 144.8
[M+CH3COO]- 186.07718 180.3
[M+Na-2H]- 148.03800 131.3
[M]+ 127.06278 121.4
[M]- 127.06388 121.4
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