CID 535684

14707-75-6

Structural Information

Molecular Formula
C7H14N4
SMILES
C1C2(CN3CN1CN(C2)C3)N
InChI
InChI=1S/C7H14N4/c8-7-1-9-4-10(2-7)6-11(3-7)5-9/h1-6,8H2
InChIKey
WXMJWQSOWLXJOA-UHFFFAOYSA-N
Compound name
1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

154.12184 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12912 133.1
[M+Na]+ 177.11106 137.2
[M-H]- 153.11456 124.6
[M+NH4]+ 172.15566 156.7
[M+K]+ 193.08500 135.2
[M+H-H2O]+ 137.11910 125.3
[M+HCOO]- 199.12004 139.2
[M+CH3COO]- 213.13569 142.0
[M+Na-2H]- 175.09651 146.7
[M]+ 154.12129 131.3
[M]- 154.12239 131.3
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