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]+ 186.18524 145.6
[M+Na]+ 208.16718 150.4
[M-H]- 184.17068 146.9
[M+NH4]+ 203.21178 166.6
[M+K]+ 224.14112 148.7
[M+H-H2O]+ 168.17522 141.2
[M+HCOO]- 230.17616 163.2
[M+CH3COO]- 244.19181 184.8
[M+Na-2H]- 206.15263 147.0
[M]+ 185.17741 140.2
[M]- 185.17851 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.