CID 173118

Einecs 272-573-7

Structural Information

Molecular Formula
C12H22N2
SMILES
C1CC2CC1C3C2C(C(C3)CN)CN
InChI
InChI=1S/C12H22N2/c13-5-9-4-10-7-1-2-8(3-7)12(10)11(9)6-14/h7-12H,1-6,13-14H2
InChIKey
ADDZHZUZVQDCOP-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

130
Patents

194.1783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.18558 146.8
[M+Na]+ 217.16752 152.6
[M-H]- 193.17102 149.5
[M+NH4]+ 212.21212 173.2
[M+K]+ 233.14146 149.0
[M+H-H2O]+ 177.17556 142.8
[M+HCOO]- 239.17650 166.9
[M+CH3COO]- 253.19215 158.8
[M+Na-2H]- 215.15297 146.2
[M]+ 194.17775 141.7
[M]- 194.17885 141.7
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

patents stripe