CID 12572948

161119-99-9

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C)NCC1=CC=CO1
InChI
InChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKey
GAGIUQGGHJZYTE-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

139.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.2
[M+Na]+ 162.08894 136.8
[M-H]- 138.09244 134.4
[M+NH4]+ 157.13354 152.0
[M+K]+ 178.06288 137.1
[M+H-H2O]+ 122.09698 124.6
[M+HCOO]- 184.09792 155.0
[M+CH3COO]- 198.11357 176.0
[M+Na-2H]- 160.07439 136.6
[M]+ 139.09917 131.0
[M]- 139.10027 131.0
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