CID 53413882

3-amino-5-methylhexan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)CC(CCO)N
InChI
InChI=1S/C7H17NO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5,8H2,1-2H3
InChIKey
ISULOSAJSWGBQR-UHFFFAOYSA-N
Compound name
3-amino-5-methylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

131.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 133.1
[M+Na]+ 154.120228 138.1
[M-H]- 130.123734 131.3
[M+NH4]+ 149.164833 153.9
[M+K]+ 170.094168 137.7
[M+H-H2O]+ 114.128270 128.3
[M+HCOO]- 176.129211 153.6
[M+CH3COO]- 190.144861 175.4
[M+Na-2H]- 152.105676 135.5
[M]+ 131.13046142 131.0
[M]- 131.13155858 131.0
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