CID 94211

4-(aminomethyl)octane-1,8-diamine

Structural Information

Molecular Formula
C9H23N3
SMILES
C(CCN)CC(CCCN)CN
InChI
InChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2
InChIKey
HMJBXEZHJUYJQY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)octane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5564
Patents

173.1892 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.19648 144.6
[M+Na]+ 196.17842 147.7
[M-H]- 172.18192 142.6
[M+NH4]+ 191.22302 163.1
[M+K]+ 212.15236 146.1
[M+H-H2O]+ 156.18646 138.2
[M+HCOO]- 218.18740 167.5
[M+CH3COO]- 232.20305 190.0
[M+Na-2H]- 194.16387 146.2
[M]+ 173.18865 140.8
[M]- 173.18975 140.8
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