CID 56962140

2920395-58-8

Structural Information

Molecular Formula
C6H12N2
SMILES
C1C(CC12CNC2)N
InChI
InChI=1S/C6H12N2/c7-5-1-6(2-5)3-8-4-6/h5,8H,1-4,7H2
InChIKey
LWEPLASGBUWJDR-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

112.10005 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 120.8
[M+Na]+ 135.08927 124.8
[M-H]- 111.09277 123.3
[M+NH4]+ 130.13387 129.7
[M+K]+ 151.06321 128.7
[M+H-H2O]+ 95.097310 106.9
[M+HCOO]- 157.09825 137.7
[M+CH3COO]- 171.11390 181.4
[M+Na-2H]- 133.07472 127.1
[M]+ 112.09950 131.2
[M]- 112.10060 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe