CID 91663861

1523572-06-6

Structural Information

Molecular Formula
C7H14N2
SMILES
CNC12CC(C1)(C2)NC
InChI
InChI=1S/C7H14N2/c1-8-6-3-7(4-6,5-6)9-2/h8-9H,3-5H2,1-2H3
InChIKey
ZQQYNGOUGPMTFF-UHFFFAOYSA-N
Compound name
1-N,3-N-dimethylbicyclo[1.1.1]pentane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 149.6
[M+Na]+ 149.10492 152.6
[M-H]- 125.10842 152.9
[M+NH4]+ 144.14952 156.8
[M+K]+ 165.07886 158.6
[M+H-H2O]+ 109.11296 135.7
[M+HCOO]- 171.11390 164.3
[M+CH3COO]- 185.12955 206.6
[M+Na-2H]- 147.09037 157.1
[M]+ 126.11515 172.6
[M]- 126.11625 172.6
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.