CID 111307

L-leucinol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)C[C@@H](CO)N
InChI
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKey
VPSSPAXIFBTOHY-LURJTMIESA-N
Compound name
(2S)-2-amino-4-methylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

214
References

4522
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 128.4
[M+Na]+ 140.104582 133.9
[M-H]- 116.108088 126.8
[M+NH4]+ 135.149187 149.8
[M+K]+ 156.078522 133.7
[M+H-H2O]+ 100.112624 123.9
[M+HCOO]- 162.113565 149.3
[M+CH3COO]- 176.129215 172.3
[M+Na-2H]- 138.090030 131.4
[M]+ 117.11481542 126.0
[M]- 117.11591258 126.0
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