CID 44674

63765-80-0

Structural Information

Molecular Formula
C7H17NO
SMILES
CCC(C(C(C)C)O)N
InChI
InChI=1S/C7H17NO/c1-4-6(8)7(9)5(2)3/h5-7,9H,4,8H2,1-3H3
InChIKey
KHRLRJPSKWLLPI-UHFFFAOYSA-N
Compound name
4-amino-2-methylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 133.4
[M+Na]+ 154.120228 138.3
[M-H]- 130.123734 131.7
[M+NH4]+ 149.164833 154.2
[M+K]+ 170.094168 138.3
[M+H-H2O]+ 114.128270 128.7
[M+HCOO]- 176.129211 153.0
[M+CH3COO]- 190.144861 176.3
[M+Na-2H]- 152.105676 134.6
[M]+ 131.13046142 130.7
[M]- 131.13155858 130.7
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