CID 18634837

45158-94-9

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(=C)C(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C10H18N2O3/c1-7(2)9(13)12-8(10(14)15)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
FQYPKQOQUNFBDP-QMMMGPOBSA-N
Compound name
(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

448
Patents

214.13174 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 152.6
[M+Na]+ 237.12096 155.9
[M-H]- 213.12446 150.4
[M+NH4]+ 232.16556 169.2
[M+K]+ 253.09490 155.0
[M+H-H2O]+ 197.12900 146.6
[M+HCOO]- 259.12994 172.3
[M+CH3COO]- 273.14559 192.2
[M+Na-2H]- 235.10641 151.2
[M]+ 214.13119 150.2
[M]- 214.13229 150.2
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