CID 131553755

2-aminospiro[3.3]heptane-2-carbonitrile

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CC2(C1)CC(C2)(C#N)N
InChI
InChI=1S/C8H12N2/c9-6-8(10)4-7(5-8)2-1-3-7/h1-5,10H2
InChIKey
VYPAIICZHCYNRP-UHFFFAOYSA-N
Compound name
2-aminospiro[3.3]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.10005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 123.0
[M+Na]+ 159.08927 129.4
[M-H]- 135.09277 128.3
[M+NH4]+ 154.13387 133.7
[M+K]+ 175.06321 133.6
[M+H-H2O]+ 119.09731 106.4
[M+HCOO]- 181.09825 139.2
[M+CH3COO]- 195.11390 198.6
[M+Na-2H]- 157.07472 129.9
[M]+ 136.09950 130.2
[M]- 136.10060 130.2
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.