CID 426589

2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

Structural Information

Molecular Formula
C10H19N
SMILES
CC1C2CC(C2(C)C)CC1N
InChI
InChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3
InChIKey
VPTSZLVPZCTAHZ-UHFFFAOYSA-N
Compound name
2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

470
Patents

153.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.15903 147.9
[M+Na]+ 176.14097 153.8
[M-H]- 152.14447 147.2
[M+NH4]+ 171.18557 168.8
[M+K]+ 192.11491 154.5
[M+H-H2O]+ 136.14901 140.0
[M+HCOO]- 198.14995 161.3
[M+CH3COO]- 212.16560 189.9
[M+Na-2H]- 174.12642 155.5
[M]+ 153.15120 157.0
[M]- 153.15230 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe