CID 137935366

2248290-92-6

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2(CCC1O)CC2CN
InChI
InChI=1S/C9H17NO/c10-6-7-5-9(7)3-1-8(11)2-4-9/h7-8,11H,1-6,10H2
InChIKey
VNPZITTXAPTGGH-UHFFFAOYSA-N
Compound name
2-(aminomethyl)spiro[2.5]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 133.1
[M+Na]+ 178.120228 140.6
[M-H]- 154.123734 137.8
[M+NH4]+ 173.164833 150.5
[M+K]+ 194.094168 138.2
[M+H-H2O]+ 138.128270 128.4
[M+HCOO]- 200.129211 152.5
[M+CH3COO]- 214.144861 179.1
[M+Na-2H]- 176.105676 138.8
[M]+ 155.13046142 129.7
[M]- 155.13155858 129.7
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.