CID 101131922

367939-60-4

Structural Information

Molecular Formula
C11H23NO
SMILES
C[C@@H]1CC[C@H]([C@](C1)(CN)O)C(C)C
InChI
InChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey
NUGSZQQEORQBRB-VWYCJHECSA-N
Compound name
(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.185236 145.6
[M+Na]+ 208.167178 150.4
[M-H]- 184.170684 146.9
[M+NH4]+ 203.211783 166.6
[M+K]+ 224.141118 148.7
[M+H-H2O]+ 168.175220 141.2
[M+HCOO]- 230.176161 163.2
[M+CH3COO]- 244.191811 184.8
[M+Na-2H]- 206.152626 147.0
[M]+ 185.17741142 140.2
[M]- 185.17850858 140.2
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

No patent data available for this compound.