CID 6453465

Ns00122987

Structural Information

Molecular Formula
C11H21N
SMILES
C[C@@H]1[C@H]2C[C@@H](C2(C)C)CC1NC
InChI
InChI=1S/C11H21N/c1-7-9-5-8(11(9,2)3)6-10(7)12-4/h7-10,12H,5-6H2,1-4H3/t7-,8-,9-,10?/m1/s1
InChIKey
KUNCCMAQTBTWDW-PBVVMKELSA-N
Compound name
(1R,2R,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
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 151.0
[M+Na]+ 190.156618 156.4
[M-H]- 166.160124 150.6
[M+NH4]+ 185.201223 171.6
[M+K]+ 206.130558 157.2
[M+H-H2O]+ 150.164660 142.9
[M+HCOO]- 212.165601 164.7
[M+CH3COO]- 226.181251 193.4
[M+Na-2H]- 188.142066 159.2
[M]+ 167.16685142 161.4
[M]- 167.16794858 161.4
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.