CID 226833

2-amino-4-methylpentan-3-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)C(C(C)N)O
InChI
InChI=1S/C6H15NO/c1-4(2)6(8)5(3)7/h4-6,8H,7H2,1-3H3
InChIKey
QLKNFSOWJQLKLV-UHFFFAOYSA-N
Compound name
2-amino-4-methylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 128.8
[M+Na]+ 140.104582 134.0
[M-H]- 116.108088 127.3
[M+NH4]+ 135.149187 150.0
[M+K]+ 156.078522 134.3
[M+H-H2O]+ 100.112624 124.3
[M+HCOO]- 162.113565 148.6
[M+CH3COO]- 176.129215 173.3
[M+Na-2H]- 138.090030 130.4
[M]+ 117.11481542 125.7
[M]- 117.11591258 125.7
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