CID 55277892

2194586-64-4

Structural Information

Molecular Formula
C7H17NO
SMILES
CCCC[C@](C)(CO)N
InChI
InChI=1S/C7H17NO/c1-3-4-5-7(2,8)6-9/h9H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKey
KIOCABJEBRVQNM-SSDOTTSWSA-N
Compound name
(2R)-2-amino-2-methylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 131.7
[M+Na]+ 154.120228 137.7
[M-H]- 130.123734 130.1
[M+NH4]+ 149.164833 152.8
[M+K]+ 170.094168 136.7
[M+H-H2O]+ 114.128270 127.6
[M+HCOO]- 176.129211 152.8
[M+CH3COO]- 190.144861 173.9
[M+Na-2H]- 152.105676 137.5
[M]+ 131.13046142 130.6
[M]- 131.13155858 130.6
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