CID 137952174

2219353-85-0

Structural Information

Molecular Formula
C11H21N
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CCN)C
InChI
InChI=1S/C11H21N/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10H,3-7,12H2,1-2H3/t8-,9-,10-/m0/s1
InChIKey
ONMBSORDKJUHMW-GUBZILKMSA-N
Compound name
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 152.0
[M+Na]+ 190.156618 156.6
[M-H]- 166.160124 150.7
[M+NH4]+ 185.201223 172.1
[M+K]+ 206.130558 157.0
[M+H-H2O]+ 150.164660 143.5
[M+HCOO]- 212.165601 165.1
[M+CH3COO]- 226.181251 191.6
[M+Na-2H]- 188.142066 159.7
[M]+ 167.16685142 161.1
[M]- 167.16794858 161.1
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.