CID 54016362

(1-(aminomethyl)-3,3-dimethylcyclobutyl)methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1(CC(C1)(CN)CO)C
InChI
InChI=1S/C8H17NO/c1-7(2)3-8(4-7,5-9)6-10/h10H,3-6,9H2,1-2H3
InChIKey
KVXAUCCBQXOOPV-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.13101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 135.2
[M+Na]+ 166.12023 141.2
[M-H]- 142.12373 137.5
[M+NH4]+ 161.16483 153.1
[M+K]+ 182.09417 142.6
[M+H-H2O]+ 126.12827 127.6
[M+HCOO]- 188.12921 155.5
[M+CH3COO]- 202.14486 178.7
[M+Na-2H]- 164.10568 140.8
[M]+ 143.13046 141.7
[M]- 143.13156 141.7
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

patents stripe