CID 167716614

En300-39926509

Structural Information

Molecular Formula
C8H12N2
SMILES
C1C2CC1(CC2C#N)CN
InChI
InChI=1S/C8H12N2/c9-4-7-3-8(5-10)1-6(7)2-8/h6-7H,1-3,5,10H2
InChIKey
LIXPQMSUUZHAAR-UHFFFAOYSA-N
Compound name
4-(aminomethyl)bicyclo[2.1.1]hexane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 136.1
[M+Na]+ 159.08927 145.4
[M-H]- 135.09277 137.7
[M+NH4]+ 154.13387 157.9
[M+K]+ 175.06321 142.7
[M+H-H2O]+ 119.09731 123.4
[M+HCOO]- 181.09825 152.3
[M+CH3COO]- 195.11390 147.9
[M+Na-2H]- 157.07472 143.0
[M]+ 136.09950 141.0
[M]- 136.10060 141.0
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.