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]+ 127.122976 149.6
[M+Na]+ 149.104918 152.6
[M-H]- 125.108424 152.9
[M+NH4]+ 144.149523 156.8
[M+K]+ 165.078858 158.6
[M+H-H2O]+ 109.112960 135.7
[M+HCOO]- 171.113901 164.3
[M+CH3COO]- 185.129551 206.6
[M+Na-2H]- 147.090366 157.1
[M]+ 126.11515142 172.6
[M]- 126.11624858 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.