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
3
Annotation Hits

0
References

132
Patents

194.1783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.185576 146.8
[M+Na]+ 217.167518 152.6
[M-H]- 193.171024 149.5
[M+NH4]+ 212.212123 173.2
[M+K]+ 233.141458 149.0
[M+H-H2O]+ 177.175560 142.8
[M+HCOO]- 239.176501 166.9
[M+CH3COO]- 253.192151 158.8
[M+Na-2H]- 215.152966 146.2
[M]+ 194.17775142 141.7
[M]- 194.17884858 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