CID 137838619

2095409-61-1

Structural Information

Molecular Formula
C8H13N
SMILES
C1CC12C(C23CC3)CN
InChI
InChI=1S/C8H13N/c9-5-6-7(1-2-7)8(6)3-4-8/h6H,1-5,9H2
InChIKey
YSEBKCHFGNUDBY-UHFFFAOYSA-N
Compound name
dispiro[2.0.24.13]heptan-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 157.3
[M+Na]+ 146.09402 161.5
[M-H]- 122.09752 163.7
[M+NH4]+ 141.13862 163.5
[M+K]+ 162.06796 164.6
[M+H-H2O]+ 106.10206 154.7
[M+HCOO]- 168.10300 170.8
[M+CH3COO]- 182.11865 164.1
[M+Na-2H]- 144.07947 159.2
[M]+ 123.10425 159.8
[M]- 123.10535 159.8
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.