CID 177801600

1-{bicyclo[3.1.1]heptan-3-yl}methanamine

Structural Information

Molecular Formula
C8H15N
SMILES
C1C2CC1CC(C2)CN
InChI
InChI=1S/C8H15N/c9-5-8-3-6-1-7(2-6)4-8/h6-8H,1-5,9H2
InChIKey
HHZXLMAYSJPBEQ-UHFFFAOYSA-N
Compound name
3-bicyclo[3.1.1]heptanylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 133.3
[M+Na]+ 148.10967 137.4
[M-H]- 124.11317 132.0
[M+NH4]+ 143.15427 152.8
[M+K]+ 164.08361 138.9
[M+H-H2O]+ 108.11771 124.7
[M+HCOO]- 170.11865 147.8
[M+CH3COO]- 184.13430 182.3
[M+Na-2H]- 146.09512 143.0
[M]+ 125.11990 141.0
[M]- 125.12100 141.0
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.